Mechanical Properties of Superhard Alloys of Boron-Carbon-Nitride Compounds: The Ab initio Study
| Autor: | Shao-Min Chen, 陳劭旻 |
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| Rok vydání: | 2016 |
| Druh dokumentu: | 學位論文 ; thesis |
| Popis: | 104 The boron-carbon-nitride ternary compounds is of interest since the hardness of the boron-carbon-nitride ternary compounds is comparable to that of diamond. To explore the composition of boron-carbon-nitrogen compound that possesses the superior hardness, this work has implemented the calculations of ab initio and epitaxial strain energy. The results revealed that C0.5B0.25N0.25 with the space group of P2221 is the most promising cubic ternary alloy because the elastic constant C11 of C0.5B0.25N0.25 is 911.1 GPa which is as close as diamond. The results revealed that C0.375B0.25N0.375 with the space group of R3 was the most promising ternary alloy because the elastic constant C11 of C0.375B0.25N0.375 is 1308.7 GPa which is even higher than that of diamond. |
| Databáze: | Networked Digital Library of Theses & Dissertations |
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